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CAS Number: 58-96-8

SMILES : O=C(N(C=CC1(=O))C(OC(C2O)CO)C2O)N1

CHEM : Uridine

MOL FOR: C9 H12 N2 O6

MOL WT : 244.21

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = -1.86

Log Kow (Exper. database match) = -1.98

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 555.74 (Adapted Stein & Brown method)

Melting Pt (deg C): 238.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.83E-015 (Modified Grain method)

VP (Pa, 25 deg C) : 1.31E-012 (Modified Grain method)

MP (exp database): 165 deg C

Subcooled liquid VP: 2.71E-013 mm Hg (25 deg C, Mod-Grain method)

: 3.62E-011 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 6.122e+004

log Kow used: -1.98 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Imides

Amides

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.82E-019 atm-m3/mole (2.86E-014 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 5.160E-020 atm-m3/mole (5.228E-015 Pa-m3/mole)

VP: 9.83E-015 mm Hg (source: MPBPVP)

WS: 6.12E+004 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: -1.98 (exp database)

Log Kaw used: -16.938 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.958

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7601

Biowin2 (Non-Linear Model) : 0.3693

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1307 (weeks )

Biowin4 (Primary Survey Model) : 3.8740 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5821

Biowin6 (MITI Non-Linear Model): 0.1611

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0139

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.61E-011 Pa (2.71E-013 mm Hg)

Log Koa (Koawin est ): 14.958

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 8.3E+004

Octanol/air (Koa) model: 223

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1

Mackay model : 1

Octanol/air (Koa) model: 1

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 76.0106 E-12 cm3/molecule-sec

Half-Life = 0.141 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.689 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

1 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 0.08007 L/kg (Kow method)

Log Koc: -1.097 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -3.9623 days (HL = 0.0001091 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8932)

Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8932)

log Kow used: -1.98 (expkow database)

Volatilization from Water:

Henry LC: 2.82E-019 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.244E+015 hours (1.352E+014 days)

Half-Life from Model Lake : 3.539E+016 hours (1.475E+015 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.24e-006 3.31 1000

Water 30.6 360 1000

Soil 69.4 720 1000

Sediment 0.0688 3.24e+003 0

Persistence Time: 640 hr

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